CONFLIST ARG        ARGBK ARG01 ARG02 ARG03 ARG+1

NATOM    ARGBK      6
NATOM    ARG01      17
NATOM    ARG02      17
NATOM    ARG03      17
NATOM    ARG+1      18

IATOM    ARGBK  N   0
IATOM    ARGBK  H   1
IATOM    ARGBK  CA  2
IATOM    ARGBK  HA  3
IATOM    ARGBK  C   4
IATOM    ARGBK  O   5
IATOM    ARG01  CB  0
IATOM    ARG01 1HB  1
IATOM    ARG01 2HB  2
IATOM    ARG01  CG  3
IATOM    ARG01 1HG  4
IATOM    ARG01 2HG  5
IATOM    ARG01  CD  6
IATOM    ARG01 1HD  7
IATOM    ARG01 2HD  8
IATOM    ARG01  NE  9
IATOM    ARG01  CZ  10
IATOM    ARG01  NH1 11
IATOM    ARG01 1HH1 12
IATOM    ARG01 2HH1 13
IATOM    ARG01  NH2 14
IATOM    ARG01 1HH2 15
IATOM    ARG01 2HH2 16
IATOM    ARG02  CB  0
IATOM    ARG02 1HB  1
IATOM    ARG02 2HB  2
IATOM    ARG02  CG  3
IATOM    ARG02 1HG  4
IATOM    ARG02 2HG  5
IATOM    ARG02  CD  6
IATOM    ARG02 1HD  7
IATOM    ARG02 2HD  8
IATOM    ARG02  NE  9
IATOM    ARG02  HE  10
IATOM    ARG02  CZ  11
IATOM    ARG02  NH1 12
IATOM    ARG02 1HH1 13
IATOM    ARG02  NH2 14
IATOM    ARG02 1HH2 15
IATOM    ARG02 2HH2 16
IATOM    ARG03  CB  0
IATOM    ARG03 1HB  1
IATOM    ARG03 2HB  2
IATOM    ARG03  CG  3
IATOM    ARG03 1HG  4
IATOM    ARG03 2HG  5
IATOM    ARG03  CD  6
IATOM    ARG03 1HD  7
IATOM    ARG03 2HD  8
IATOM    ARG03  NE  9
IATOM    ARG03  HE  10
IATOM    ARG03  CZ  11
IATOM    ARG03  NH1 12
IATOM    ARG03 1HH1 13
IATOM    ARG03 2HH1 14
IATOM    ARG03  NH2 15
IATOM    ARG03 1HH2 16
IATOM    ARG+1  CB  0
IATOM    ARG+1 1HB  1
IATOM    ARG+1 2HB  2
IATOM    ARG+1  CG  3
IATOM    ARG+1 1HG  4
IATOM    ARG+1 2HG  5
IATOM    ARG+1  CD  6
IATOM    ARG+1 1HD  7
IATOM    ARG+1 2HD  8
IATOM    ARG+1  NE  9
IATOM    ARG+1  HE  10
IATOM    ARG+1  CZ  11
IATOM    ARG+1  NH1 12
IATOM    ARG+1 1HH1 13
IATOM    ARG+1 2HH1 14
IATOM    ARG+1  NH2 15
IATOM    ARG+1 1HH2 16
IATOM    ARG+1 2HH2 17

ATOMNAME ARGBK    0  N 
ATOMNAME ARGBK    1  H  
ATOMNAME ARGBK    2  CA 
ATOMNAME ARGBK    3  HA 
ATOMNAME ARGBK    4  C  
ATOMNAME ARGBK    5  O
ATOMNAME ARG01    0  CB
ATOMNAME ARG01    1 1HB 
ATOMNAME ARG01    2 2HB
ATOMNAME ARG01    3  CG 
ATOMNAME ARG01    4 1HG 
ATOMNAME ARG01    5 2HG
ATOMNAME ARG01    6  CD 
ATOMNAME ARG01    7 1HD 
ATOMNAME ARG01    8 2HD 
ATOMNAME ARG01    9  NE 
ATOMNAME ARG01   10  CZ 
ATOMNAME ARG01   11  NH1
ATOMNAME ARG01   12 1HH1
ATOMNAME ARG01   13 2HH1
ATOMNAME ARG01   14  NH2
ATOMNAME ARG01   15 1HH2
ATOMNAME ARG01   16 2HH2
ATOMNAME ARG02    0  CB 
ATOMNAME ARG02    1 1HB 
ATOMNAME ARG02    2 2HB 
ATOMNAME ARG02    3  CG
ATOMNAME ARG02    4 1HG
ATOMNAME ARG02    5 2HG 
ATOMNAME ARG02    6  CD
ATOMNAME ARG02    7 1HD 
ATOMNAME ARG02    8 2HD 
ATOMNAME ARG02    9  NE
ATOMNAME ARG02   10  HE 
ATOMNAME ARG02   11  CZ 
ATOMNAME ARG02   12  NH1
ATOMNAME ARG02   13 1HH1
ATOMNAME ARG02   14  NH2
ATOMNAME ARG02   15 1HH2
ATOMNAME ARG02   16 2HH2
ATOMNAME ARG03    0  CB 
ATOMNAME ARG03    1 1HB 
ATOMNAME ARG03    2 2HB
ATOMNAME ARG03    3  CG 
ATOMNAME ARG03    4 1HG 
ATOMNAME ARG03    5 2HG 
ATOMNAME ARG03    6  CD 
ATOMNAME ARG03    7 1HD
ATOMNAME ARG03    8 2HD
ATOMNAME ARG03    9  NE 
ATOMNAME ARG03   10  HE
ATOMNAME ARG03   11  CZ 
ATOMNAME ARG03   12  NH1
ATOMNAME ARG03   13 1HH1
ATOMNAME ARG03   14 2HH1
ATOMNAME ARG03   15  NH2
ATOMNAME ARG03   16 1HH2
ATOMNAME ARG+1    0  CB 
ATOMNAME ARG+1    1 1HB 
ATOMNAME ARG+1    2 2HB 
ATOMNAME ARG+1    3  CG 
ATOMNAME ARG+1    4 1HG 
ATOMNAME ARG+1    5 2HG 
ATOMNAME ARG+1    6  CD
ATOMNAME ARG+1    7 1HD 
ATOMNAME ARG+1    8 2HD 
ATOMNAME ARG+1    9  NE 
ATOMNAME ARG+1   10  HE 
ATOMNAME ARG+1   11  CZ
ATOMNAME ARG+1   12  NH1
ATOMNAME ARG+1   13 1HH1
ATOMNAME ARG+1   14 2HH1
ATOMNAME ARG+1   15  NH2
ATOMNAME ARG+1   16 1HH2
ATOMNAME ARG+1   17 2HH2






#1.Basic Conformer Information: name, pka, em, rxn.
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
PROTON   ARG01      0
PROTON   ARG02      0
PROTON   ARG03      0
PROTON   ARG+1      +1
PKA      ARG01      0.0
PKA      ARG02      0.0
PKA      ARG03      0.0
PKA      ARG+1      12.5
ELECTRON ARG01      0
ELECTRON ARG02      0
ELECTRON ARG03      0
ELECTRON ARG+1      0
EM       ARG01      0.0
EM       ARG02      0.0
EM       ARG03      0.0
EM       ARG+1      0.0
RXN      ARG01      -2.03 #+- 0.07
RXN      ARG02      -2.03 #+- 0.07
RXN      ARG03      -2.03 #+- 0.07
RXN      ARG+1      -7.79 #+- 0.05

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
CONNECT  ARGBK  N   sp2       -1    C   0     CA  0     H
CONNECT  ARGBK  H   s         0     N
CONNECT  ARGBK  CA  sp3       0     N   0     C   0     CB  0     HA
CONNECT  ARGBK  HA  s         0     CA
CONNECT  ARGBK  C   sp2       0     CA  0     O   1     N
CONNECT  ARGBK  O   sp2       0     C
CONNECT  ARG01  CB  sp3       0     CA  0     CG  0    1HB  0    2HB
CONNECT  ARG01 1HB  s         0     CB
CONNECT  ARG01 2HB  s         0     CB
CONNECT  ARG01  CG  sp3       0     CB  0     CD  0    1HG  0    2HG
CONNECT  ARG01 1HG  s         0     CG
CONNECT  ARG01 2HG  s         0     CG
CONNECT  ARG01  CD  sp3       0     CG  0     NE  0    1HD  0    2HD
CONNECT  ARG01 1HD  s         0     CD
CONNECT  ARG01 2HD  s         0     CD
CONNECT  ARG01  NE  sp2       0     CD  0     CZ
CONNECT  ARG01  CZ  sp2       0     NE  0     NH1 0     NH2
CONNECT  ARG01  NH1 sp2       0     CZ  0    1HH1 0    2HH1
CONNECT  ARG01 1HH1 s         0     NH1
CONNECT  ARG01 2HH1 s         0     NH1
CONNECT  ARG01  NH2 sp2       0     CZ  0    1HH2 0    2HH2
CONNECT  ARG01 1HH2 s         0     NH2
CONNECT  ARG01 2HH2 s         0     NH2
CONNECT  ARG02  CB  sp3       0     CA  0     CG  0    1HB  0    2HB
CONNECT  ARG02 1HB  s         0     CB
CONNECT  ARG02 2HB  s         0     CB
CONNECT  ARG02  CG  sp3       0     CB  0     CD  0    1HG  0    2HG
CONNECT  ARG02 1HG  s         0     CG
CONNECT  ARG02 2HG  s         0     CG
CONNECT  ARG02  CD  sp3       0     CG  0     NE  0    1HD  0    2HD
CONNECT  ARG02 1HD  s         0     CD
CONNECT  ARG02 2HD  s         0     CD
CONNECT  ARG02  NE  sp2       0     CD  0     CZ  0     HE
CONNECT  ARG02  HE  s         0     NE
CONNECT  ARG02  CZ  sp2       0     NE  0     NH1 0     NH2
CONNECT  ARG02  NH1 sp2       0     CZ  0    1HH1
CONNECT  ARG02 1HH1 s         0     NH1
CONNECT  ARG02  NH2 sp2       0     CZ  0    1HH2 0    2HH2
CONNECT  ARG02 1HH2 s         0     NH2
CONNECT  ARG02 2HH2 s         0     NH2
CONNECT  ARG03  CB  sp3       0     CA  0     CG  0    1HB  0    2HB
CONNECT  ARG03 1HB  s         0     CB
CONNECT  ARG03 2HB  s         0     CB
CONNECT  ARG03  CG  sp3       0     CB  0     CD  0    1HG  0    2HG
CONNECT  ARG03 1HG  s         0     CG
CONNECT  ARG03 2HG  s         0     CG
CONNECT  ARG03  CD  sp3       0     CG  0     NE  0    1HD  0    2HD
CONNECT  ARG03 1HD  s         0     CD
CONNECT  ARG03 2HD  s         0     CD
CONNECT  ARG03  NE  sp2       0     CD  0     CZ  0     HE
CONNECT  ARG03  HE  s         0     NE
CONNECT  ARG03  CZ  sp2       0     NE  0     NH1 0     NH2
CONNECT  ARG03  NH1 sp2       0     CZ  0    1HH1 0    2HH1
CONNECT  ARG03 1HH1 s         0     NH1
CONNECT  ARG03 2HH1 s         0     NH1
CONNECT  ARG03  NH2 sp2       0     CZ  0    1HH2
CONNECT  ARG03 1HH2 s         0     NH2
CONNECT  ARG+1  CB  sp3       0     CA  0     CG  0    1HB  0    2HB
CONNECT  ARG+1 1HB  s         0     CB
CONNECT  ARG+1 2HB  s         0     CB
CONNECT  ARG+1  CG  sp3       0     CB  0     CD  0    1HG  0    2HG
CONNECT  ARG+1 1HG  s         0     CG
CONNECT  ARG+1 2HG  s         0     CG
CONNECT  ARG+1  CD  sp3       0     CG  0     NE  0    1HD  0    2HD
CONNECT  ARG+1 1HD  s         0     CD
CONNECT  ARG+1 2HD  s         0     CD
CONNECT  ARG+1  NE  sp2       0     CD  0     CZ  0     HE
CONNECT  ARG+1  HE  s         0     NE
CONNECT  ARG+1  CZ  sp2       0     NE  0     NH1 0     NH2
CONNECT  ARG+1  NH1 sp2       0     CZ  0    1HH1 0    2HH1
CONNECT  ARG+1 1HH1 s         0     NH1
CONNECT  ARG+1 2HH1 s         0     NH1
CONNECT  ARG+1  NH2 sp2       0     CZ  0    1HH2 0    2HH2
CONNECT  ARG+1 1HH2 s         0     NH2
CONNECT  ARG+1 2HH2 s         0     NH2
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
DONOR    ARG01 1HH1  NH1
DONOR    ARG01 2HH1  NH1
DONOR    ARG01 1HH2  NH2
DONOR    ARG01 2HH2  NH2

DONOR    ARG02 1HH1  NH1
DONOR    ARG02 1HH2  NH2
DONOR    ARG02 2HH2  NH2
DONOR    ARG02  HE   NE

DONOR    ARG03 1HH1  NH1
DONOR    ARG03 2HH1  NH1
DONOR    ARG03 1HH2  NH2
DONOR    ARG03  HE   NE

DONOR    ARG+1 1HH1  NH1
DONOR    ARG+1 2HH1  NH1
DONOR    ARG+1 1HH2  NH2
DONOR    ARG+1 2HH2  NH2
DONOR    ARG+1  HE   NE

#3.Atom Parameters: Partial Charges and Radii
# drom parseres.siz
RADIUS   ARG    N   1.50
RADIUS   ARG    H   1.00
RADIUS   ARG    CA  2.00
RADIUS   ARG    HA  0.00
RADIUS   ARG    C   1.70
RADIUS   ARG    O   1.40
RADIUS   ARG    CB  2.00
RADIUS   ARG   1HB  0.00
RADIUS   ARG   2HB  0.00
RADIUS   ARG    CG  2.00
RADIUS   ARG   1HG  0.00
RADIUS   ARG   2HG  0.00
RADIUS   ARG    CD  2.00
RADIUS   ARG   1HD  0.00
RADIUS   ARG   2HD  0.00
RADIUS   ARG    NE  1.50
RADIUS   ARG    HE  1.20
RADIUS   ARG    CZ  1.70
RADIUS   ARG    NH1 1.50
RADIUS   ARG   1HH1 1.00
RADIUS   ARG   2HH1 1.00
RADIUS   ARG    NH2 1.50
RADIUS   ARG   1HH2 1.00
RADIUS   ARG   2HH2 1.00

CHARGE   ARGBK  N    -0.350
CHARGE   ARGBK  H     0.250
CHARGE   ARGBK  CA    0.100
CHARGE   ARGBK  C     0.550
CHARGE   ARGBK  O    -0.550

CHARGE   ARG01  CD    0.280
CHARGE   ARG01  NE   -0.560
CHARGE   ARG01  CZ    0.280
CHARGE   ARG01  NH1  -0.750
CHARGE   ARG01 1HH1   0.375
CHARGE   ARG01 2HH1   0.375
CHARGE   ARG01  NH2  -0.750
CHARGE   ARG01 1HH2   0.375
CHARGE   ARG01 2HH2   0.375

CHARGE   ARG02  CD    0.280
CHARGE   ARG02  NE   -0.750
CHARGE   ARG02  HE    0.375
CHARGE   ARG02  CZ    0.280
CHARGE   ARG02  NH1  -0.560
CHARGE   ARG02 1HH1   0.375
CHARGE   ARG02  NH2  -0.750
CHARGE   ARG02 1HH2   0.375
CHARGE   ARG02 2HH2   0.375

CHARGE   ARG03  CD    0.280
CHARGE   ARG03  NE   -0.750
CHARGE   ARG03  HE    0.375
CHARGE   ARG03  CZ    0.280
CHARGE   ARG03  NH1  -0.750
CHARGE   ARG03 1HH1   0.375
CHARGE   ARG03 2HH1   0.375
CHARGE   ARG03  NH2  -0.560
CHARGE   ARG03 1HH2   0.375

CHARGE   ARG+1  CD    0.350
CHARGE   ARG+1  NE   -0.350
CHARGE   ARG+1  CZ    0.350
CHARGE   ARG+1  NH1  -0.700
CHARGE   ARG+1  NH2  -0.700
CHARGE   ARG+1  HE    0.450
CHARGE   ARG+1 1HH1   0.400
CHARGE   ARG+1 2HH1   0.400
CHARGE   ARG+1 1HH2   0.400
CHARGE   ARG+1 2HH2   0.400

#=========================================================================
#        GRP   #      BOND     AFFECTED_ATOMS
#123456789012345678901234567890
#-------|---|----|-|---------|----|----|----|----|----|----|----|----|----
ROTAMER  ARG   0     CA - CB   CG   CD   NE   CZ   NH1  NH2
ROTAMER  ARG   1     CB - CG   CD   NE   CZ   NH1  NH2
ROTAMER  ARG   2     CG - CD   NE   CZ   NH1  NH2
ROTAMER  ARG   3     CD - NE   CZ   NH1  NH2
#=========================================================================


